6,7-dimethoxy-2-(2-methylpropyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-isoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 2-isobutyl-6,7-dimethoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1-isoquinolinone IUPAC Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]isoquinolin-1-one Traditional Name: 2-isobutyl-6,7-dimethoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]isocarbostyril Formula: C27H30F3N3O4 MolecularWeight: 517.54001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C27H30F3N3O4/c1-17(2)15-33-16-22(20-13-23(36-3)24(37-4)14-21(20)25(33)34)26(35)32-10-8-31(9-11-32)19-7-5-6-18(12-19)27(28,29)30/h5-7,12-14,16-17H,8-11,15H2,1-4H3